6-Ethoxynaphthalene-2-boronic Acid - CAS 352525-98-5

Catalog:	BB022563
Product Name:	6-Ethoxynaphthalene-2-boronic Acid
CAS:	352525-98-5
Synonyms:	(6-ethoxy-2-naphthalenyl)boronic acid; (6-ethoxynaphthalen-2-yl)boronic acid

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Computed Properties

IUPAC Name:	(6-ethoxynaphthalen-2-yl)boronic acid
Description:	6-Ethoxynaphthalene-2-boronic Acid (CAS# 352525-98-5) is a useful research chemical.
Molecular Weight:	216.04
Molecular Formula:	C12H13O3B
Canonical SMILES:	B(C1=CC2=C(C=C1)C=C(C=C2)OCC)(O)O
InChI:	InChI=1S/C12H13BO3/c1-2-16-12-6-4-9-7-11(13(14)15)5-3-10(9)8-12/h3-8,14-15H,2H2,1H3
InChI Key:	INXXVGFSXYJGHI-UHFFFAOYSA-N
Boiling Point:	423.2 °C at 760 mmHg
Melting Point:	252-255 °C (lit.)
Flash Point:	Not applicable
Density:	1.2 g/cm³
MDL:	MFCD03427009
LogP:	0.91830

Publication Number	Title	Priority Date
CN-111559990-A	Micromolecular oxathiazine derivative and application thereof	20200529
CN-111559990-B	Micromolecular oxathiazine derivative and application thereof	20200529
JP-2020019766-A	Compound and method for producing the same	20180723
JP-2020021063-A	Optical filter and display device	20180723
WO-2020022134-A1	Compound and method for producing same	20180723

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0957744
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	216.0957744
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0